Sodium 3-oxido-5-sulfidoisothiazole-4-carboxylate

C₄NNa₃O₃S₂CAS 76857-14-2243.14 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₄NNa₃O₃S₂
Molar mass: 243.14 g/mol
Exact mass: 242.9013 Da
logP: -10.50Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76857-14-2

SMILES

C1(=C(SN=C1[O-])[S-])C(=O)[O-].[Na+].[Na+].[Na+]

InChIKey

OUZADVMVJWLIDI-UHFFFAOYSA-K

InChI

InChI=1S/C4H3NO3S2.3Na/c6-2-1(3(7)8)4(9)10-5-2;;;/h9H,(H,5,6)(H,7,8);;;/q;3*+1/p-3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole

Work with Sodium 3-oxido-5-sulfidoisothiazole-4-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium benzoate532-32-131 % similar Sodium o-fluorobenzoate490-97-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook